carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane

C22H39FeNO — CID 135078041

IUPACcarbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane
SMILESC.CC.CC(C)N(C(=O)c1ccc[cH-]1)C(C)C.[CH3-].[CH3-].[Fe+4].c1cc[cH-]c1
InChIInChI=1S/C12H18NO.C5H5.C2H6.CH4.2CH3.Fe/c1-9(2)13(10(3)4)12(14)11-7-5-6-8-11;1-2-4-5-3-1;1-2;;;;/h5-10H,1-4H3;1-5H;1-2H3;1H4;2*1H3;/q2*-1;;;2*-1;+4
InChIKeyCETKQNAXFZRCLQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP6.63
Rot. Bonds3

About carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane

carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane (PubChem CID 135078041) has the molecular formula C22H39FeNO and a molecular weight of 389.41 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane
PubChem CID135078041
Molecular FormulaC22H39FeNO
Molecular Weight389.41 g/mol
Exact Mass389.24
IUPAC Namecarbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane
SMILESC.CC.CC(C)N(C(=O)c1ccc[cH-]1)C(C)C.[CH3-].[CH3-].[Fe+4].c1cc[cH-]c1
InChIInChI=1S/C12H18NO.C5H5.C2H6.CH4.2CH3.Fe/c1-9(2)13(10(3)4)12(14)11-7-5-6-8-11;1-2-4-5-3-1;1-2;;;;/h5-10H,1-4H3;1-5H;1-2H3;1H4;2*1H3;/q2*-1;;;2*-1;+4
InChIKeyCETKQNAXFZRCLQ-UHFFFAOYSA-N
XLogP6.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)
CID 15194402
2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
CID 10379661
2,3-diamino-N,N-di(propan-2-yl)benzamide
CID 54534997
cyclopenta-1,3-diene;iron(2+);N-propan-2-ylcyclopenta-1,3-dien-1-amine
CID 172826783
2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide
CID 156790495
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
2-[dimethyl(trimethylsilyl)silyl]-N,N-di(propan-2-yl)benzamide
CID 163323510
2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
CID 15268349
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
CID 158519657
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
[2-[di(propan-2-yl)carbamoyl]phenoxy]boronic acid
CID 142726714

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane?
The IUPAC name of carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane (CID 135078041) is carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane is C.CC.CC(C)N(C(=O)c1ccc[cH-]1)C(C)C.[CH3-].[CH3-].[Fe+4].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane?
The InChIKey is CETKQNAXFZRCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.C5H5.C2H6.CH4.2CH3.Fe/c1-9(2)13(10(3)4)12(14)11-7-5-6-8-11;1-2-4-5-3-1;1-2;;;;/h5-10H,1-4H3;1-5H;1-2H3;1H4;2*1H3;/q2*-1;;;2*-1;+4.
What are the key properties of carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane?
carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane has a molecular weight of 389.41 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane is sourced from PubChem (CID 135078041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).